4L77
 
 | | P450cin Active Site Water: Implications for Substrate Binding and Solvent Accessibility | | Descriptor: | 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE, DI(HYDROXYETHYL)ETHER, P450cin, ... | | Authors: | Madrona, Y, Poulos, T.L. | | Deposit date: | 2013-06-13 | | Release date: | 2013-07-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.379 Å) | | Cite: | P450cin active site water: implications for substrate binding and solvent accessibility.
Biochemistry, 52, 2013
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4BQB
 | | Crystal structure of the FN5 and FN6 domains of NEO1, form 2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, NEOGENIN | | Authors: | Bell, C.H, Healey, E, van Erp, S, Bishop, B, Tang, C, Gilbert, R.J.C, Aricescu, A.R, Pasterkamp, R.J, Siebold, C. | | Deposit date: | 2013-05-30 | | Release date: | 2013-06-12 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of the Repulsive Guidance Molecule (Rgm)-Neogenin Signaling Hub
Science, 341, 2013
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4L7Y
 | | Deoxygenated Hb in complex with the allosteric effectors, IRL2500 and 2,3-DPG | | Descriptor: | (2R)-2,3-diphosphoglyceric acid, (2R)-2-({(2S)-3-(biphenyl-4-yl)-2-[(3,5-dimethylbenzoyl)(methyl)amino]propanoyl}amino)-3-(1H-indol-3-yl)propanoic acid (non-preferred name), Hemoglobin subunit alpha, ... | | Authors: | Safo, M.K, Chowdhury, N. | | Deposit date: | 2013-06-14 | | Release date: | 2013-07-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Novel small molecule modulators of human hemoglobin oxygen binding identified by small molecule microarray screening
To be Published
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4L40
 | | Structure of the P450 OleT with a C20 fatty acid substrate bound | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Terminal olefin-forming fatty acid decarboxylase, icosanoic acid | | Authors: | Leys, D. | | Deposit date: | 2013-06-07 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure and Biochemical Properties of the Alkene Producing Cytochrome P450 OleTJE (CYP152L1) from the Jeotgalicoccus sp. 8456 Bacterium.
J.Biol.Chem., 289, 2014
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4GZP
 | | N2 Neuraminidase of A/Tanzania/205/2010 H3N2 in complex with oseltamivir carboxylate | | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhu, X, Wilson, I.A. | | Deposit date: | 2012-09-06 | | Release date: | 2012-10-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Influenza virus neuraminidases with reduced enzymatic activity that avidly bind sialic Acid receptors.
J.Virol., 86, 2012
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4HCS
 | | Structure of Novel subfamily CX chemokine solved by sulfur SAD | | Descriptor: | Uncharacterized protein | | Authors: | Rajasekaran, D, Fan, C, Meng, W, Pflugrath, J.W, Lolis, E.J. | | Deposit date: | 2012-10-01 | | Release date: | 2013-10-16 | | Last modified: | 2014-04-23 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Structural insight into the evolution of a new chemokine family from zebrafish.
Proteins, 82, 2014
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4L9W
 | | Crystal Structure of H-Ras G12C, GMPPNP-bound | | Descriptor: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | | Authors: | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | | Deposit date: | 2013-06-18 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.952 Å) | | Cite: | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
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2WUB
 | | Crystal structure of HGFA in complex with the allosteric non- inhibitory antibody Fab40.deltaTrp | | Descriptor: | FAB FRAGMENT FAB40.DELTATRP HEAVY CHAIN, FAB FRAGMENT FAB40.DELTATRP LIGHT CHAIN, HEPATOCYTE GROWTH FACTOR ACTIVATOR LONG CHAIN, ... | | Authors: | Ganesan, R, Eigenbrot, C, Shia, S. | | Deposit date: | 2009-10-01 | | Release date: | 2009-12-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Unraveling the Allosteric Mechanism of Serine Protease Inhibition by an Antibody
Structure, 17, 2009
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2WZ9
 | | Crystal structure of the thioredoxin domain of human TXNL2 | | Descriptor: | GLUTAREDOXIN-3 | | Authors: | Vollmar, M, Johannson, C, Cocking, R, Pike, A.C.W, Muniz, J.R.C, Edwards, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Kavanagh, K.L. | | Deposit date: | 2009-11-25 | | Release date: | 2010-03-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal Structure of the Thioredoxin Domain of Human Txnl2
To be Published
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3PEC
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3PCW
 | | Endothiapepsin in complex with a fragment | | Descriptor: | 4-(trifluoromethyl)benzenecarboximidamide, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | Authors: | Koester, H, Heine, A, Klebe, G. | | Deposit date: | 2010-10-22 | | Release date: | 2011-10-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes.
J.Med.Chem., 54, 2011
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2WI9
 | | Selective oxidation of carbolide C-H bonds by engineered macrolide P450 monooxygenase | | Descriptor: | CYCLODODECYL 3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSIDE, CYTOCHROME P450 HYDROXYLASE PIKC, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Li, S, Chaulagain, M.R, Knauff, A.R, Podust, L.M, Montgomery, J, Sherman, D.H. | | Deposit date: | 2009-05-08 | | Release date: | 2009-10-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Selective Oxidation of Carbolide C-H Bonds by an Engineered Macrolide P450 Mono-Oxygenase.
Proc.Natl.Acad.Sci.USA, 106, 2009
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4C9F
 | | Structure of SIGN-R1 in complex with Sulfodextran | | Descriptor: | 4-O-sulfo-alpha-D-glucopyranose, CALCIUM ION, CD209 ANTIGEN-LIKE PROTEIN B, ... | | Authors: | Silva-Martin, N, Bartual, S.G, Rodriguez, A, Ramirez, E, Chacon, P, Anthony, R.M, Park, C.G, Hermoso, J.A. | | Deposit date: | 2013-10-02 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Basis for Selective Recognition of Endogenous and Microbial Polysaccharides by Macrophage Receptor Sign-R1
Structure, 22, 2014
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3PBF
 | | Surfactant Protein-A neck and carbohydrate recognition domain (NCRD) complexed with glycerol | | Descriptor: | CALCIUM ION, GLYCEROL, Pulmonary surfactant-associated protein A | | Authors: | Shang, F, Rynkiewicz, M.J, McCormack, F.X, Wu, H, Cafarella, T.M, Head, J, Seaton, B.A. | | Deposit date: | 2010-10-20 | | Release date: | 2010-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystallographic complexes of surfactant protein A and carbohydrates reveal ligand-induced conformational change.
J.Biol.Chem., 286, 2011
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1GCD
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4H53
 | | Influenza N2-Tyr406Asp neuraminidase in complex with beta-Neu5Ac | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Vavricka, C.J, Liu, Y, Kiyota, H, Sriwilaijaroen, N, Qi, J, Tanaka, K, Wu, Y, Li, Q, Li, Y, Yan, J, Suzuki, Y, Gao, G.F. | | Deposit date: | 2012-09-18 | | Release date: | 2013-02-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Influenza neuraminidase operates via a nucleophilic mechanism and can be targeted by covalent inhibitors
Nat Commun, 4, 2013
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1GMH
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1GBK
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1GCT
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1GMD
 | | X-ray crystal structure of gamma-chymotrypsin in hexane | | Descriptor: | GAMMA-CHYMOTRYPSIN A, HEXANE, PRO GLY ALA TYR ASP PEPTIDE | | Authors: | Yennawar, N.H, Yennawar, H.P, Banerjee, S, Farber, G.K. | | Deposit date: | 1993-08-20 | | Release date: | 1993-10-31 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | X-ray crystal structure of gamma-chymotrypsin in hexane.
Biochemistry, 33, 1994
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7YRK
 | | Crystal structure of the hen egg lysozyme-2-oxidobenzylidene-threoninato-copper (II) complex | | Descriptor: | (6~{S})-6-[(1~{R})-1-oxidanylethyl]-2,4-dioxa-7$l^{4}-aza-3$l^{3}-cupratricyclo[7.4.0.0^{3,7}]trideca-1(13),7,9,11-tetraen-5-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Unno, M, Furuya, T, Kitanishi, K, Akitsu, T. | | Deposit date: | 2022-08-10 | | Release date: | 2023-05-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (0.92 Å) | | Cite: | A novel hybrid protein composed of superoxide-dismutase-active Cu(II) complex and lysozyme.
Sci Rep, 13, 2023
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1GBF
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4HA5
 | | Structure of BACE Bound to (S)-3-(5-(2-imino-1,4-dimethyl-6-oxohexahydropyrimidin-4-yl)thiophen-3-yl)benzonitrile | | Descriptor: | 3-{5-[(2E,4S)-2-imino-1,4-dimethyl-6-oxohexahydropyrimidin-4-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID | | Authors: | Strickland, C, Mandal, M. | | Deposit date: | 2012-09-25 | | Release date: | 2012-10-17 | | Last modified: | 2012-11-21 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation.
J.Med.Chem., 55, 2012
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1GHL
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2X6L
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